Open AccessSolving the problem of planning a chemical experiment based on genetic algorithms
Author(s) -
E. V. Antipina,
Светлана Мустафина,
A. F. Antipin,
Светлана Мустафина
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1745/1/012045
Subject(s) - problem statement , task (project management) , genetic algorithm , yield (engineering) , statement (logic) , reagent , computer science , algorithm , product (mathematics) , mathematical optimization , mathematics , chemistry , management science , engineering , organic chemistry , materials science , geometry , systems engineering , political science , law , metallurgy
The article is devoted to the task of planning an experiment in chemistry and chemical technology. The problem statement of finding the optimal ratio of the initial substances of reaction is defined. A genetic algorithm for solving this problem is proposed. The algorithm is tested on the example of the reaction of aminomethylation of thiols using tetramethylmethanediamine. The optimal initial concentrations of reagents are calculated to obtain the maximum yield of the target reaction product.